Chemical Properties of 2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl ester (CAS 832-01-9)

InChI

InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5+

InChI Key

VEZIKIAGFYZTCI-VMPITWQZSA-N

Formula

C11H12O3

SMILES

COC(=O)C=Cc1ccc(OC)cc1

Molecular Weight¹

192.21

CAS

832-01-9

Other Names

• Cinnamic acid, p-methoxy-, methyl ester
• Methyl p-methoxycinnamate
• Methyl 4-methoxycinnamate
• Cinnamate, methyl p-methoxy-
• 4-Methoxycinnamic acid, methyl ester
• Methyl 3-(4-methoxyphenyl)-2-propenoate
• 4-Methoxymethyl cinnamate
• Methyl (2E)-3-(4-methoxyphenyl)-2-propenoate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-368.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.08	kJ/mol	Joback Calculated Property
ΔvapH°	75.39	kJ/mol	Relay (1.0) Calculated Property
IE	8.14	eV	Relay (1.0) Calculated Property
log10WS	-3.18		Relay (1.0) Calculated Property
logPoct/wat	1.881		Crippen Calculated Property
McVol	151.100	ml/mol	McGowan Calculated Property
Inp	[1665.00; 1694.60]
Inp	1668.00		NIST
Inp	1665.00		NIST
Inp	1694.60		NIST
Inp	1692.00		NIST
Tboil	559.04	K	Relay (1.0) Calculated Property
Tfus	352.64	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[350.81; 419.74]	J/mol×K	[585.61; 802.77]
Cp,gas	350.81	J/mol×K	585.61	Joback Calculated Property
Cp,gas	364.16	J/mol×K	621.80	Joback Calculated Property
Cp,gas	376.74	J/mol×K	658.00	Joback Calculated Property
Cp,gas	388.57	J/mol×K	694.19	Joback Calculated Property
Cp,gas	399.68	J/mol×K	730.38	Joback Calculated Property
Cp,gas	410.06	J/mol×K	766.58	Joback Calculated Property
Cp,gas	419.74	J/mol×K	802.77	Joback Calculated Property
η	[0.0001355; 0.0012034]	Pa×s	[341.98; 585.61]
η	0.0012034	Pa×s	341.98	Joback Calculated Property
η	0.0006894	Pa×s	382.59	Joback Calculated Property
η	0.0004395	Pa×s	423.19	Joback Calculated Property
η	0.0003032	Pa×s	463.80	Joback Calculated Property
η	0.0002220	Pa×s	504.40	Joback Calculated Property
η	0.0001703	Pa×s	545.00	Joback Calculated Property
η	0.0001355	Pa×s	585.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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